USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 TYR OH : rot -15:sc= 0.908 USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= 0.798 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -170:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.45) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.612 K(o=0.61,f=-2.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.155 K(o=0.15,f=-5.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -17:sc= 0.461 USER MOD Single : A 42 MET CE :methyl -124:sc= 0 (180deg=-0.0431) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0432) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 146:sc= 0 (180deg=-0.331) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 25.981 37.937 32.108 1.00 0.00 N ATOM 2 CA SER A 1 26.955 38.253 31.045 1.00 0.00 C ATOM 3 C SER A 1 27.566 37.007 30.423 1.00 0.00 C ATOM 4 O SER A 1 28.050 36.135 31.145 1.00 0.00 O ATOM 5 CB SER A 1 28.103 39.105 31.575 1.00 0.00 C ATOM 6 OG SER A 1 27.654 40.404 31.900 1.00 0.00 O ATOM 0 H1 SER A 1 25.595 38.820 32.498 1.00 0.00 H new ATOM 0 H2 SER A 1 25.207 37.366 31.712 1.00 0.00 H new ATOM 0 H3 SER A 1 26.454 37.402 32.864 1.00 0.00 H new ATOM 0 HA SER A 1 26.388 38.797 30.290 1.00 0.00 H new ATOM 0 HB2 SER A 1 28.535 38.633 32.458 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.893 39.165 30.827 1.00 0.00 H new ATOM 0 HG SER A 1 28.405 40.934 32.240 1.00 0.00 H new ATOM 12 N MET A 2 27.644 36.945 29.087 1.00 0.00 N ATOM 13 CA MET A 2 28.503 35.991 28.352 1.00 0.00 C ATOM 14 C MET A 2 29.872 36.602 28.003 1.00 0.00 C ATOM 15 O MET A 2 29.957 37.812 27.775 1.00 0.00 O ATOM 16 CB MET A 2 27.820 35.521 27.060 1.00 0.00 C ATOM 17 CG MET A 2 26.545 34.721 27.330 1.00 0.00 C ATOM 18 SD MET A 2 25.883 33.953 25.832 1.00 0.00 S ATOM 19 CE MET A 2 24.447 33.172 26.604 1.00 0.00 C ATOM 0 H MET A 2 27.109 37.560 28.474 1.00 0.00 H new ATOM 0 HA MET A 2 28.661 35.139 29.014 1.00 0.00 H new ATOM 0 HB2 MET A 2 27.578 36.388 26.445 1.00 0.00 H new ATOM 0 HB3 MET A 2 28.516 34.908 26.487 1.00 0.00 H new ATOM 0 HG2 MET A 2 26.754 33.948 28.069 1.00 0.00 H new ATOM 0 HG3 MET A 2 25.791 35.379 27.761 1.00 0.00 H new ATOM 0 HE1 MET A 2 23.878 32.629 25.849 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.781 32.478 27.375 1.00 0.00 H new ATOM 0 HE3 MET A 2 23.815 33.937 27.054 1.00 0.00 H new ATOM 29 N VAL A 3 30.931 35.792 27.914 1.00 0.00 N ATOM 30 CA VAL A 3 32.315 36.252 27.669 1.00 0.00 C ATOM 31 C VAL A 3 33.115 35.237 26.831 1.00 0.00 C ATOM 32 O VAL A 3 32.828 34.041 26.862 1.00 0.00 O ATOM 33 CB VAL A 3 33.093 36.526 28.989 1.00 0.00 C ATOM 34 CG1 VAL A 3 34.062 37.708 28.802 1.00 0.00 C ATOM 35 CG2 VAL A 3 32.233 36.799 30.240 1.00 0.00 C ATOM 0 H VAL A 3 30.857 34.779 28.011 1.00 0.00 H new ATOM 0 HA VAL A 3 32.217 37.186 27.116 1.00 0.00 H new ATOM 0 HB VAL A 3 33.615 35.589 29.182 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.599 37.889 29.733 1.00 0.00 H new ATOM 0 HG12 VAL A 3 34.774 37.473 28.011 1.00 0.00 H new ATOM 0 HG13 VAL A 3 33.499 38.600 28.529 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.883 36.976 31.097 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.611 37.678 30.069 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.596 35.937 30.439 1.00 0.00 H new ATOM 45 N ASN A 4 34.141 35.707 26.108 1.00 0.00 N ATOM 46 CA ASN A 4 35.123 34.843 25.435 1.00 0.00 C ATOM 47 C ASN A 4 36.051 34.137 26.447 1.00 0.00 C ATOM 48 O ASN A 4 36.422 34.714 27.469 1.00 0.00 O ATOM 49 CB ASN A 4 35.965 35.663 24.439 1.00 0.00 C ATOM 50 CG ASN A 4 35.145 36.234 23.285 1.00 0.00 C ATOM 51 OD1 ASN A 4 34.670 35.512 22.413 1.00 0.00 O ATOM 52 ND2 ASN A 4 34.968 37.540 23.229 1.00 0.00 N ATOM 0 H ASN A 4 34.315 36.703 25.972 1.00 0.00 H new ATOM 0 HA ASN A 4 34.567 34.076 24.895 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.450 36.481 24.971 1.00 0.00 H new ATOM 0 HB3 ASN A 4 36.756 35.031 24.036 1.00 0.00 H new ATOM 0 HD21 ASN A 4 34.436 37.950 22.461 1.00 0.00 H new ATOM 0 HD22 ASN A 4 35.363 38.140 23.954 1.00 0.00 H new ATOM 59 N THR A 5 36.476 32.903 26.140 1.00 0.00 N ATOM 60 CA THR A 5 37.354 32.062 26.970 1.00 0.00 C ATOM 61 C THR A 5 38.397 31.402 26.086 1.00 0.00 C ATOM 62 O THR A 5 38.100 30.901 25.004 1.00 0.00 O ATOM 63 CB THR A 5 36.561 30.976 27.709 1.00 0.00 C ATOM 64 OG1 THR A 5 35.975 30.053 26.826 1.00 0.00 O ATOM 65 CG2 THR A 5 35.518 31.591 28.625 1.00 0.00 C ATOM 0 H THR A 5 36.207 32.443 25.270 1.00 0.00 H new ATOM 0 HA THR A 5 37.831 32.701 27.713 1.00 0.00 H new ATOM 0 HB THR A 5 37.272 30.423 28.323 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.355 29.477 27.319 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.971 30.799 29.136 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.010 32.226 29.362 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.824 32.190 28.035 1.00 0.00 H new ATOM 73 N GLY A 6 39.606 31.290 26.618 1.00 0.00 N ATOM 74 CA GLY A 6 40.553 30.246 26.241 1.00 0.00 C ATOM 75 C GLY A 6 40.255 28.847 26.797 1.00 0.00 C ATOM 76 O GLY A 6 41.175 28.034 26.863 1.00 0.00 O ATOM 0 H GLY A 6 39.962 31.927 27.331 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.585 30.186 25.153 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.547 30.545 26.573 1.00 0.00 H new ATOM 80 N LEU A 7 39.037 28.553 27.279 1.00 0.00 N ATOM 81 CA LEU A 7 38.722 27.241 27.866 1.00 0.00 C ATOM 82 C LEU A 7 38.651 26.162 26.759 1.00 0.00 C ATOM 83 O LEU A 7 38.414 26.539 25.608 1.00 0.00 O ATOM 84 CB LEU A 7 37.450 27.320 28.734 1.00 0.00 C ATOM 85 CG LEU A 7 37.739 27.785 30.177 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.427 28.173 30.867 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.436 26.699 31.019 1.00 0.00 C ATOM 0 H LEU A 7 38.254 29.207 27.274 1.00 0.00 H new ATOM 0 HA LEU A 7 39.525 26.941 28.540 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.742 28.007 28.271 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.973 26.340 28.761 1.00 0.00 H new ATOM 0 HG LEU A 7 38.411 28.641 30.107 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.635 28.501 31.886 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.951 28.984 30.315 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.760 27.311 30.892 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.616 27.078 32.025 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.799 25.816 31.073 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.386 26.434 30.556 1.00 0.00 H new ATOM 99 N PRO A 8 38.855 24.858 27.056 1.00 0.00 N ATOM 100 CA PRO A 8 38.952 23.812 26.029 1.00 0.00 C ATOM 101 C PRO A 8 37.555 23.401 25.504 1.00 0.00 C ATOM 102 O PRO A 8 36.625 24.205 25.513 1.00 0.00 O ATOM 103 CB PRO A 8 39.714 22.694 26.752 1.00 0.00 C ATOM 104 CG PRO A 8 39.084 22.748 28.137 1.00 0.00 C ATOM 105 CD PRO A 8 39.040 24.254 28.382 1.00 0.00 C ATOM 0 HA PRO A 8 39.468 24.121 25.120 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.572 21.725 26.274 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.787 22.881 26.781 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.091 22.299 28.156 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.684 22.227 28.883 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.223 24.520 29.052 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.961 24.604 28.848 1.00 0.00 H new ATOM 113 N ALA A 9 37.370 22.152 25.057 1.00 0.00 N ATOM 114 CA ALA A 9 36.085 21.632 24.557 1.00 0.00 C ATOM 115 C ALA A 9 34.924 21.697 25.573 1.00 0.00 C ATOM 116 O ALA A 9 33.756 21.707 25.179 1.00 0.00 O ATOM 117 CB ALA A 9 36.315 20.185 24.111 1.00 0.00 C ATOM 0 H ALA A 9 38.120 21.461 25.031 1.00 0.00 H new ATOM 0 HA ALA A 9 35.770 22.273 23.734 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.381 19.768 23.734 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.067 20.163 23.322 1.00 0.00 H new ATOM 0 HB3 ALA A 9 36.661 19.594 24.959 1.00 0.00 H new ATOM 123 N GLY A 10 35.248 21.746 26.872 1.00 0.00 N ATOM 124 CA GLY A 10 34.323 21.922 27.993 1.00 0.00 C ATOM 125 C GLY A 10 34.376 23.354 28.510 1.00 0.00 C ATOM 126 O GLY A 10 35.069 23.634 29.487 1.00 0.00 O ATOM 0 H GLY A 10 36.216 21.659 27.183 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.308 21.681 27.676 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.579 21.230 28.795 1.00 0.00 H new ATOM 130 N TRP A 11 33.657 24.249 27.828 1.00 0.00 N ATOM 131 CA TRP A 11 33.634 25.696 28.094 1.00 0.00 C ATOM 132 C TRP A 11 32.223 26.309 28.207 1.00 0.00 C ATOM 133 O TRP A 11 32.104 27.495 28.516 1.00 0.00 O ATOM 134 CB TRP A 11 34.380 26.410 26.961 1.00 0.00 C ATOM 135 CG TRP A 11 33.606 26.530 25.684 1.00 0.00 C ATOM 136 CD1 TRP A 11 33.311 25.521 24.834 1.00 0.00 C ATOM 137 CD2 TRP A 11 32.949 27.715 25.133 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.539 26.000 23.796 1.00 0.00 N ATOM 139 CE2 TRP A 11 32.305 27.352 23.915 1.00 0.00 C ATOM 140 CE3 TRP A 11 32.826 29.061 25.548 1.00 0.00 C ATOM 141 CZ2 TRP A 11 31.612 28.284 23.127 1.00 0.00 C ATOM 142 CZ3 TRP A 11 32.135 30.005 24.764 1.00 0.00 C ATOM 143 CH2 TRP A 11 31.542 29.623 23.548 1.00 0.00 C ATOM 0 H TRP A 11 33.054 23.981 27.050 1.00 0.00 H new ATOM 0 HA TRP A 11 34.108 25.834 29.066 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.656 27.409 27.298 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.307 25.874 26.760 1.00 0.00 H new ATOM 0 HD1 TRP A 11 33.631 24.496 24.950 1.00 0.00 H new ATOM 0 HE1 TRP A 11 32.185 25.423 23.033 1.00 0.00 H new ATOM 0 HE3 TRP A 11 33.270 29.371 26.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 31.138 27.976 22.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.060 31.029 25.099 1.00 0.00 H new ATOM 0 HH2 TRP A 11 31.034 30.356 22.939 1.00 0.00 H new ATOM 154 N GLU A 12 31.160 25.547 27.923 1.00 0.00 N ATOM 155 CA GLU A 12 29.783 26.052 27.897 1.00 0.00 C ATOM 156 C GLU A 12 29.287 26.241 29.339 1.00 0.00 C ATOM 157 O GLU A 12 28.984 25.258 30.010 1.00 0.00 O ATOM 158 CB GLU A 12 28.908 25.065 27.101 1.00 0.00 C ATOM 159 CG GLU A 12 27.437 25.485 26.946 1.00 0.00 C ATOM 160 CD GLU A 12 27.184 26.601 25.930 1.00 0.00 C ATOM 161 OE1 GLU A 12 28.119 27.166 25.318 1.00 0.00 O ATOM 162 OE2 GLU A 12 25.997 26.915 25.680 1.00 0.00 O ATOM 0 H GLU A 12 31.233 24.554 27.703 1.00 0.00 H new ATOM 0 HA GLU A 12 29.729 27.022 27.402 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.341 24.937 26.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.943 24.093 27.592 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.855 24.611 26.655 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.063 25.808 27.918 1.00 0.00 H new ATOM 169 N VAL A 13 29.238 27.479 29.838 1.00 0.00 N ATOM 170 CA VAL A 13 28.899 27.769 31.239 1.00 0.00 C ATOM 171 C VAL A 13 27.447 27.404 31.554 1.00 0.00 C ATOM 172 O VAL A 13 26.535 27.725 30.790 1.00 0.00 O ATOM 173 CB VAL A 13 29.208 29.235 31.619 1.00 0.00 C ATOM 174 CG1 VAL A 13 28.257 30.274 30.997 1.00 0.00 C ATOM 175 CG2 VAL A 13 29.268 29.425 33.138 1.00 0.00 C ATOM 0 H VAL A 13 29.432 28.312 29.283 1.00 0.00 H new ATOM 0 HA VAL A 13 29.538 27.137 31.856 1.00 0.00 H new ATOM 0 HB VAL A 13 30.191 29.424 31.188 1.00 0.00 H new ATOM 0 HG11 VAL A 13 28.550 31.274 31.319 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.311 30.212 29.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 27.236 30.073 31.321 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.487 30.468 33.366 1.00 0.00 H new ATOM 0 HG22 VAL A 13 28.309 29.152 33.577 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.051 28.791 33.553 1.00 0.00 H new ATOM 185 N ARG A 14 27.246 26.739 32.693 1.00 0.00 N ATOM 186 CA ARG A 14 25.948 26.348 33.232 1.00 0.00 C ATOM 187 C ARG A 14 25.841 26.760 34.702 1.00 0.00 C ATOM 188 O ARG A 14 26.682 26.427 35.535 1.00 0.00 O ATOM 189 CB ARG A 14 25.747 24.827 33.067 1.00 0.00 C ATOM 190 CG ARG A 14 25.639 24.297 31.621 1.00 0.00 C ATOM 191 CD ARG A 14 24.329 24.642 30.890 1.00 0.00 C ATOM 192 NE ARG A 14 24.232 26.078 30.597 1.00 0.00 N ATOM 193 CZ ARG A 14 23.136 26.781 30.355 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.008 26.211 29.998 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.180 28.089 30.483 1.00 0.00 N ATOM 0 H ARG A 14 28.020 26.447 33.289 1.00 0.00 H new ATOM 0 HA ARG A 14 25.161 26.860 32.679 1.00 0.00 H new ATOM 0 HB2 ARG A 14 26.579 24.319 33.555 1.00 0.00 H new ATOM 0 HB3 ARG A 14 24.841 24.543 33.603 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.474 24.694 31.043 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.751 23.213 31.640 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.271 24.076 29.960 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.480 24.337 31.502 1.00 0.00 H new ATOM 0 HE ARG A 14 25.112 26.594 30.578 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.958 25.197 29.900 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.182 26.782 29.819 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.048 28.545 30.764 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.346 28.648 30.301 1.00 0.00 H new ATOM 209 N HIS A 15 24.784 27.504 35.019 1.00 0.00 N ATOM 210 CA HIS A 15 24.548 28.124 36.324 1.00 0.00 C ATOM 211 C HIS A 15 23.804 27.230 37.336 1.00 0.00 C ATOM 212 O HIS A 15 23.736 27.598 38.509 1.00 0.00 O ATOM 213 CB HIS A 15 23.783 29.435 36.097 1.00 0.00 C ATOM 214 CG HIS A 15 22.452 29.275 35.410 1.00 0.00 C ATOM 215 ND1 HIS A 15 22.240 29.412 34.037 1.00 0.00 N ATOM 216 CD2 HIS A 15 21.264 28.995 36.018 1.00 0.00 C ATOM 217 CE1 HIS A 15 20.924 29.213 33.854 1.00 0.00 C ATOM 218 NE2 HIS A 15 20.313 28.962 35.024 1.00 0.00 N ATOM 0 H HIS A 15 24.039 27.700 34.350 1.00 0.00 H new ATOM 0 HA HIS A 15 25.522 28.301 36.779 1.00 0.00 H new ATOM 0 HB2 HIS A 15 23.624 29.919 37.061 1.00 0.00 H new ATOM 0 HB3 HIS A 15 24.405 30.105 35.503 1.00 0.00 H new ATOM 0 HD2 HIS A 15 21.101 28.831 37.073 1.00 0.00 H new ATOM 0 HE1 HIS A 15 20.425 29.250 32.897 1.00 0.00 H new ATOM 0 HE2 HIS A 15 19.318 28.779 35.153 1.00 0.00 H new ATOM 226 N SER A 16 23.236 26.098 36.906 1.00 0.00 N ATOM 227 CA SER A 16 22.393 25.211 37.729 1.00 0.00 C ATOM 228 C SER A 16 23.052 24.826 39.068 1.00 0.00 C ATOM 229 O SER A 16 24.007 24.045 39.082 1.00 0.00 O ATOM 230 CB SER A 16 22.033 23.931 36.955 1.00 0.00 C ATOM 231 OG SER A 16 21.370 24.220 35.737 1.00 0.00 O ATOM 0 H SER A 16 23.351 25.761 35.950 1.00 0.00 H new ATOM 0 HA SER A 16 21.490 25.778 37.956 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.941 23.364 36.749 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.396 23.299 37.574 1.00 0.00 H new ATOM 0 HG SER A 16 21.159 23.383 35.273 1.00 0.00 H new ATOM 237 N ASN A 17 22.527 25.389 40.167 1.00 0.00 N ATOM 238 CA ASN A 17 22.887 25.279 41.585 1.00 0.00 C ATOM 239 C ASN A 17 22.485 26.570 42.329 1.00 0.00 C ATOM 240 O ASN A 17 22.641 27.688 41.830 1.00 0.00 O ATOM 241 CB ASN A 17 24.343 24.863 41.903 1.00 0.00 C ATOM 242 CG ASN A 17 25.426 25.874 41.533 1.00 0.00 C ATOM 243 OD1 ASN A 17 25.957 26.576 42.382 1.00 0.00 O ATOM 244 ND2 ASN A 17 25.850 25.940 40.288 1.00 0.00 N ATOM 0 H ASN A 17 21.731 26.018 40.064 1.00 0.00 H new ATOM 0 HA ASN A 17 22.312 24.430 41.954 1.00 0.00 H new ATOM 0 HB2 ASN A 17 24.416 24.658 42.971 1.00 0.00 H new ATOM 0 HB3 ASN A 17 24.554 23.928 41.383 1.00 0.00 H new ATOM 0 HD21 ASN A 17 26.613 26.571 40.042 1.00 0.00 H new ATOM 0 HD22 ASN A 17 25.416 25.360 39.570 1.00 0.00 H new ATOM 251 N SER A 18 21.985 26.403 43.546 1.00 0.00 N ATOM 252 CA SER A 18 21.763 27.469 44.538 1.00 0.00 C ATOM 253 C SER A 18 23.074 28.039 45.108 1.00 0.00 C ATOM 254 O SER A 18 23.071 29.099 45.737 1.00 0.00 O ATOM 255 CB SER A 18 20.955 26.911 45.720 1.00 0.00 C ATOM 256 OG SER A 18 19.717 26.342 45.325 1.00 0.00 O ATOM 0 H SER A 18 21.708 25.484 43.893 1.00 0.00 H new ATOM 0 HA SER A 18 21.232 28.267 44.019 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.549 26.155 46.234 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.769 27.711 46.436 1.00 0.00 H new ATOM 0 HG SER A 18 19.247 26.002 46.115 1.00 0.00 H new ATOM 262 N LYS A 19 24.198 27.337 44.925 1.00 0.00 N ATOM 263 CA LYS A 19 25.519 27.735 45.416 1.00 0.00 C ATOM 264 C LYS A 19 26.183 28.813 44.522 1.00 0.00 C ATOM 265 O LYS A 19 25.519 29.502 43.744 1.00 0.00 O ATOM 266 CB LYS A 19 26.358 26.456 45.651 1.00 0.00 C ATOM 267 CG LYS A 19 27.248 26.569 46.901 1.00 0.00 C ATOM 268 CD LYS A 19 28.000 25.277 47.246 1.00 0.00 C ATOM 269 CE LYS A 19 27.042 24.115 47.538 1.00 0.00 C ATOM 270 NZ LYS A 19 27.722 23.004 48.238 1.00 0.00 N ATOM 0 H LYS A 19 24.213 26.452 44.417 1.00 0.00 H new ATOM 0 HA LYS A 19 25.433 28.244 46.376 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.691 25.600 45.757 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.982 26.267 44.778 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.972 27.370 46.749 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.629 26.856 47.751 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.656 25.007 46.418 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.637 25.449 48.114 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.211 24.473 48.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 26.618 23.750 46.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 27.041 22.238 48.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.499 22.645 47.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.105 23.346 49.143 1.00 0.00 H new ATOM 284 N ASN A 20 27.485 29.046 44.701 1.00 0.00 N ATOM 285 CA ASN A 20 28.092 30.336 44.354 1.00 0.00 C ATOM 286 C ASN A 20 28.728 30.399 42.953 1.00 0.00 C ATOM 287 O ASN A 20 28.765 31.481 42.370 1.00 0.00 O ATOM 288 CB ASN A 20 29.133 30.689 45.424 1.00 0.00 C ATOM 289 CG ASN A 20 28.597 30.572 46.845 1.00 0.00 C ATOM 290 OD1 ASN A 20 29.000 29.685 47.591 1.00 0.00 O ATOM 291 ND2 ASN A 20 27.653 31.398 47.252 1.00 0.00 N ATOM 0 H ASN A 20 28.138 28.362 45.083 1.00 0.00 H new ATOM 0 HA ASN A 20 27.281 31.064 44.325 1.00 0.00 H new ATOM 0 HB2 ASN A 20 29.996 30.032 45.313 1.00 0.00 H new ATOM 0 HB3 ASN A 20 29.484 31.707 45.258 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.258 31.300 48.187 1.00 0.00 H new ATOM 0 HD22 ASN A 20 27.318 32.135 46.632 1.00 0.00 H new ATOM 298 N LEU A 21 29.246 29.282 42.421 1.00 0.00 N ATOM 299 CA LEU A 21 29.937 29.215 41.120 1.00 0.00 C ATOM 300 C LEU A 21 29.158 28.354 40.101 1.00 0.00 C ATOM 301 O LEU A 21 28.411 27.453 40.503 1.00 0.00 O ATOM 302 CB LEU A 21 31.369 28.655 41.315 1.00 0.00 C ATOM 303 CG LEU A 21 32.485 29.659 41.687 1.00 0.00 C ATOM 304 CD1 LEU A 21 32.796 30.653 40.559 1.00 0.00 C ATOM 305 CD2 LEU A 21 32.207 30.421 42.987 1.00 0.00 C ATOM 0 H LEU A 21 29.196 28.379 42.892 1.00 0.00 H new ATOM 0 HA LEU A 21 29.994 30.226 40.717 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.329 27.893 42.094 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.662 28.153 40.393 1.00 0.00 H new ATOM 0 HG LEU A 21 33.365 29.036 41.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.587 31.331 40.880 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.122 30.108 39.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.900 31.227 40.322 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.029 31.108 43.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 31.279 30.984 42.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.115 29.713 43.811 1.00 0.00 H new ATOM 317 N PRO A 22 29.363 28.575 38.787 1.00 0.00 N ATOM 318 CA PRO A 22 28.838 27.721 37.729 1.00 0.00 C ATOM 319 C PRO A 22 29.710 26.463 37.567 1.00 0.00 C ATOM 320 O PRO A 22 30.658 26.231 38.321 1.00 0.00 O ATOM 321 CB PRO A 22 28.874 28.615 36.482 1.00 0.00 C ATOM 322 CG PRO A 22 30.150 29.427 36.688 1.00 0.00 C ATOM 323 CD PRO A 22 30.190 29.629 38.204 1.00 0.00 C ATOM 0 HA PRO A 22 27.833 27.350 37.932 1.00 0.00 H new ATOM 0 HB2 PRO A 22 28.911 28.028 35.564 1.00 0.00 H new ATOM 0 HB3 PRO A 22 27.993 29.254 36.416 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.030 28.893 36.329 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.114 30.377 36.155 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.213 29.569 38.576 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.809 30.614 38.474 1.00 0.00 H new ATOM 331 N TYR A 23 29.405 25.668 36.541 1.00 0.00 N ATOM 332 CA TYR A 23 30.297 24.660 35.955 1.00 0.00 C ATOM 333 C TYR A 23 30.286 24.774 34.421 1.00 0.00 C ATOM 334 O TYR A 23 29.274 25.147 33.833 1.00 0.00 O ATOM 335 CB TYR A 23 29.873 23.250 36.394 1.00 0.00 C ATOM 336 CG TYR A 23 28.489 22.820 35.933 1.00 0.00 C ATOM 337 CD1 TYR A 23 27.352 23.212 36.665 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.332 22.037 34.769 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.069 22.813 36.256 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.049 21.627 34.354 1.00 0.00 C ATOM 341 CZ TYR A 23 25.916 22.007 35.107 1.00 0.00 C ATOM 342 OH TYR A 23 24.673 21.590 34.743 1.00 0.00 O ATOM 0 H TYR A 23 28.498 25.708 36.076 1.00 0.00 H new ATOM 0 HA TYR A 23 31.312 24.839 36.311 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.603 22.534 36.017 1.00 0.00 H new ATOM 0 HB3 TYR A 23 29.909 23.199 37.482 1.00 0.00 H new ATOM 0 HD1 TYR A 23 27.467 23.824 37.547 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.200 21.751 34.193 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.201 23.122 36.819 1.00 0.00 H new ATOM 0 HE2 TYR A 23 26.933 21.025 33.465 1.00 0.00 H new ATOM 0 HH TYR A 23 24.736 21.045 33.931 1.00 0.00 H new ATOM 352 N TYR A 24 31.389 24.433 33.754 1.00 0.00 N ATOM 353 CA TYR A 24 31.451 24.401 32.287 1.00 0.00 C ATOM 354 C TYR A 24 31.136 22.990 31.771 1.00 0.00 C ATOM 355 O TYR A 24 31.705 22.023 32.271 1.00 0.00 O ATOM 356 CB TYR A 24 32.841 24.851 31.821 1.00 0.00 C ATOM 357 CG TYR A 24 33.317 26.170 32.402 1.00 0.00 C ATOM 358 CD1 TYR A 24 32.754 27.383 31.962 1.00 0.00 C ATOM 359 CD2 TYR A 24 34.316 26.183 33.396 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.191 28.605 32.508 1.00 0.00 C ATOM 361 CE2 TYR A 24 34.752 27.399 33.953 1.00 0.00 C ATOM 362 CZ TYR A 24 34.193 28.616 33.505 1.00 0.00 C ATOM 363 OH TYR A 24 34.632 29.795 34.022 1.00 0.00 O ATOM 0 H TYR A 24 32.263 24.172 34.210 1.00 0.00 H new ATOM 0 HA TYR A 24 30.705 25.084 31.881 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.563 24.076 32.079 1.00 0.00 H new ATOM 0 HB3 TYR A 24 32.835 24.931 30.734 1.00 0.00 H new ATOM 0 HD1 TYR A 24 31.985 27.376 31.204 1.00 0.00 H new ATOM 0 HD2 TYR A 24 34.750 25.253 33.732 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.761 29.534 32.165 1.00 0.00 H new ATOM 0 HE2 TYR A 24 35.512 27.402 34.721 1.00 0.00 H new ATOM 0 HH TYR A 24 34.342 30.533 33.446 1.00 0.00 H new ATOM 373 N PHE A 25 30.257 22.847 30.777 1.00 0.00 N ATOM 374 CA PHE A 25 29.884 21.561 30.175 1.00 0.00 C ATOM 375 C PHE A 25 30.617 21.323 28.842 1.00 0.00 C ATOM 376 O PHE A 25 30.870 22.273 28.095 1.00 0.00 O ATOM 377 CB PHE A 25 28.355 21.543 29.988 1.00 0.00 C ATOM 378 CG PHE A 25 27.776 20.190 29.602 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.840 19.118 30.515 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.147 20.001 28.354 1.00 0.00 C ATOM 381 CE1 PHE A 25 27.290 17.867 30.185 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.583 18.752 28.033 1.00 0.00 C ATOM 383 CZ PHE A 25 26.662 17.683 28.941 1.00 0.00 C ATOM 0 H PHE A 25 29.772 23.640 30.357 1.00 0.00 H new ATOM 0 HA PHE A 25 30.185 20.748 30.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.886 21.872 30.915 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.088 22.269 29.220 1.00 0.00 H new ATOM 0 HD1 PHE A 25 28.315 19.259 31.475 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.098 20.814 27.645 1.00 0.00 H new ATOM 0 HE1 PHE A 25 27.350 17.048 30.887 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.087 18.615 27.084 1.00 0.00 H new ATOM 0 HZ PHE A 25 26.241 16.722 28.684 1.00 0.00 H new ATOM 393 N ASN A 26 30.917 20.057 28.520 1.00 0.00 N ATOM 394 CA ASN A 26 31.263 19.616 27.160 1.00 0.00 C ATOM 395 C ASN A 26 30.056 18.905 26.504 1.00 0.00 C ATOM 396 O ASN A 26 29.740 17.777 26.901 1.00 0.00 O ATOM 397 CB ASN A 26 32.489 18.683 27.176 1.00 0.00 C ATOM 398 CG ASN A 26 32.861 18.195 25.771 1.00 0.00 C ATOM 399 OD1 ASN A 26 32.329 18.643 24.764 1.00 0.00 O ATOM 400 ND2 ASN A 26 33.755 17.233 25.658 1.00 0.00 N ATOM 0 H ASN A 26 30.927 19.301 29.204 1.00 0.00 H new ATOM 0 HA ASN A 26 31.516 20.498 26.571 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.338 19.208 27.613 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.282 17.824 27.815 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.998 16.868 24.737 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.204 16.853 26.492 1.00 0.00 H new ATOM 407 N PRO A 27 29.403 19.505 25.486 1.00 0.00 N ATOM 408 CA PRO A 27 28.293 18.879 24.769 1.00 0.00 C ATOM 409 C PRO A 27 28.668 17.606 23.995 1.00 0.00 C ATOM 410 O PRO A 27 27.818 16.729 23.838 1.00 0.00 O ATOM 411 CB PRO A 27 27.741 19.955 23.825 1.00 0.00 C ATOM 412 CG PRO A 27 28.241 21.273 24.412 1.00 0.00 C ATOM 413 CD PRO A 27 29.574 20.882 25.038 1.00 0.00 C ATOM 0 HA PRO A 27 27.554 18.533 25.491 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.102 19.812 22.806 1.00 0.00 H new ATOM 0 HB3 PRO A 27 26.652 19.926 23.784 1.00 0.00 H new ATOM 0 HG2 PRO A 27 28.364 22.037 23.644 1.00 0.00 H new ATOM 0 HG3 PRO A 27 27.549 21.674 25.152 1.00 0.00 H new ATOM 0 HD2 PRO A 27 30.386 20.962 24.315 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.824 21.538 25.872 1.00 0.00 H new ATOM 421 N ALA A 28 29.912 17.486 23.510 1.00 0.00 N ATOM 422 CA ALA A 28 30.343 16.396 22.628 1.00 0.00 C ATOM 423 C ALA A 28 30.576 15.058 23.358 1.00 0.00 C ATOM 424 O ALA A 28 30.357 13.996 22.765 1.00 0.00 O ATOM 425 CB ALA A 28 31.611 16.863 21.900 1.00 0.00 C ATOM 0 H ALA A 28 30.655 18.152 23.723 1.00 0.00 H new ATOM 0 HA ALA A 28 29.540 16.185 21.922 1.00 0.00 H new ATOM 0 HB1 ALA A 28 31.960 16.074 21.234 1.00 0.00 H new ATOM 0 HB2 ALA A 28 31.388 17.757 21.318 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.387 17.090 22.631 1.00 0.00 H new ATOM 431 N THR A 29 30.991 15.107 24.633 1.00 0.00 N ATOM 432 CA THR A 29 31.212 13.951 25.524 1.00 0.00 C ATOM 433 C THR A 29 30.865 14.389 26.943 1.00 0.00 C ATOM 434 O THR A 29 31.630 15.137 27.554 1.00 0.00 O ATOM 435 CB THR A 29 32.661 13.442 25.435 1.00 0.00 C ATOM 436 OG1 THR A 29 32.924 13.042 24.103 1.00 0.00 O ATOM 437 CG2 THR A 29 32.933 12.231 26.328 1.00 0.00 C ATOM 0 H THR A 29 31.192 15.994 25.095 1.00 0.00 H new ATOM 0 HA THR A 29 30.577 13.119 25.221 1.00 0.00 H new ATOM 0 HB THR A 29 33.299 14.262 25.765 1.00 0.00 H new ATOM 0 HG1 THR A 29 33.846 12.717 24.035 1.00 0.00 H new ATOM 0 HG21 THR A 29 33.973 11.923 26.217 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.742 12.496 27.368 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.279 11.410 26.036 1.00 0.00 H new ATOM 445 N ARG A 30 29.707 13.928 27.429 1.00 0.00 N ATOM 446 CA ARG A 30 29.031 14.309 28.674 1.00 0.00 C ATOM 447 C ARG A 30 29.994 14.326 29.866 1.00 0.00 C ATOM 448 O ARG A 30 30.385 13.281 30.400 1.00 0.00 O ATOM 449 CB ARG A 30 27.847 13.344 28.885 1.00 0.00 C ATOM 450 CG ARG A 30 26.927 13.681 30.066 1.00 0.00 C ATOM 451 CD ARG A 30 25.865 12.580 30.217 1.00 0.00 C ATOM 452 NE ARG A 30 25.052 12.769 31.427 1.00 0.00 N ATOM 453 CZ ARG A 30 24.038 12.013 31.829 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.614 10.970 31.145 1.00 0.00 N ATOM 455 NH2 ARG A 30 23.429 12.309 32.953 1.00 0.00 N ATOM 0 H ARG A 30 29.176 13.222 26.920 1.00 0.00 H new ATOM 0 HA ARG A 30 28.656 15.330 28.597 1.00 0.00 H new ATOM 0 HB2 ARG A 30 27.249 13.325 27.974 1.00 0.00 H new ATOM 0 HB3 ARG A 30 28.241 12.338 29.029 1.00 0.00 H new ATOM 0 HG2 ARG A 30 27.510 13.767 30.983 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.446 14.645 29.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.217 12.577 29.340 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.354 11.606 30.256 1.00 0.00 H new ATOM 0 HE ARG A 30 25.292 13.564 32.019 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.069 10.716 30.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.830 10.417 31.492 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.737 13.110 33.504 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.648 11.738 33.276 1.00 0.00 H new ATOM 469 N GLU A 31 30.364 15.534 30.276 1.00 0.00 N ATOM 470 CA GLU A 31 31.404 15.825 31.260 1.00 0.00 C ATOM 471 C GLU A 31 31.384 17.318 31.611 1.00 0.00 C ATOM 472 O GLU A 31 30.915 18.142 30.822 1.00 0.00 O ATOM 473 CB GLU A 31 32.779 15.423 30.687 1.00 0.00 C ATOM 474 CG GLU A 31 33.957 15.512 31.663 1.00 0.00 C ATOM 475 CD GLU A 31 33.683 14.734 32.945 1.00 0.00 C ATOM 476 OE1 GLU A 31 33.765 13.487 32.939 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.356 15.363 33.982 1.00 0.00 O ATOM 0 H GLU A 31 29.925 16.381 29.914 1.00 0.00 H new ATOM 0 HA GLU A 31 31.219 15.253 32.169 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.713 14.399 30.318 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.994 16.058 29.828 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.856 15.123 31.185 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.152 16.557 31.905 1.00 0.00 H new ATOM 484 N SER A 32 31.926 17.677 32.773 1.00 0.00 N ATOM 485 CA SER A 32 32.079 19.071 33.194 1.00 0.00 C ATOM 486 C SER A 32 33.512 19.427 33.618 1.00 0.00 C ATOM 487 O SER A 32 34.340 18.555 33.895 1.00 0.00 O ATOM 488 CB SER A 32 31.071 19.405 34.303 1.00 0.00 C ATOM 489 OG SER A 32 31.291 18.635 35.472 1.00 0.00 O ATOM 0 H SER A 32 32.275 17.004 33.456 1.00 0.00 H new ATOM 0 HA SER A 32 31.868 19.689 32.321 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.141 20.465 34.549 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.059 19.228 33.938 1.00 0.00 H new ATOM 0 HG SER A 32 30.630 18.879 36.153 1.00 0.00 H new ATOM 495 N ARG A 33 33.801 20.732 33.654 1.00 0.00 N ATOM 496 CA ARG A 33 35.081 21.334 34.023 1.00 0.00 C ATOM 497 C ARG A 33 34.831 22.506 34.986 1.00 0.00 C ATOM 498 O ARG A 33 33.789 23.161 34.942 1.00 0.00 O ATOM 499 CB ARG A 33 35.808 21.781 32.742 1.00 0.00 C ATOM 500 CG ARG A 33 37.334 21.948 32.883 1.00 0.00 C ATOM 501 CD ARG A 33 38.141 20.675 33.197 1.00 0.00 C ATOM 502 NE ARG A 33 37.662 19.453 32.524 1.00 0.00 N ATOM 503 CZ ARG A 33 37.738 19.127 31.240 1.00 0.00 C ATOM 504 NH1 ARG A 33 38.286 19.916 30.343 1.00 0.00 N ATOM 505 NH2 ARG A 33 37.243 17.975 30.860 1.00 0.00 N ATOM 0 H ARG A 33 33.104 21.436 33.411 1.00 0.00 H new ATOM 0 HA ARG A 33 35.717 20.614 34.538 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.609 21.052 31.956 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.383 22.729 32.413 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.717 22.374 31.956 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.526 22.676 33.671 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.181 20.843 32.916 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.125 20.509 34.274 1.00 0.00 H new ATOM 0 HE ARG A 33 37.211 18.765 33.127 1.00 0.00 H new ATOM 0 HH11 ARG A 33 38.673 20.817 30.624 1.00 0.00 H new ATOM 0 HH12 ARG A 33 38.324 19.628 29.365 1.00 0.00 H new ATOM 0 HH21 ARG A 33 36.813 17.354 31.545 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.288 17.699 29.879 1.00 0.00 H new ATOM 519 N TRP A 34 35.803 22.751 35.862 1.00 0.00 N ATOM 520 CA TRP A 34 35.614 23.448 37.149 1.00 0.00 C ATOM 521 C TRP A 34 36.796 24.374 37.509 1.00 0.00 C ATOM 522 O TRP A 34 36.672 25.273 38.341 1.00 0.00 O ATOM 523 CB TRP A 34 35.406 22.365 38.241 1.00 0.00 C ATOM 524 CG TRP A 34 35.564 20.924 37.814 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.555 20.030 37.700 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.757 20.231 37.316 1.00 0.00 C ATOM 527 NE1 TRP A 34 35.033 18.848 37.167 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.381 18.923 36.891 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.106 20.602 37.110 1.00 0.00 C ATOM 530 CZ2 TRP A 34 37.291 18.034 36.300 1.00 0.00 C ATOM 531 CZ3 TRP A 34 39.035 19.707 36.545 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.629 18.425 36.137 1.00 0.00 C ATOM 0 H TRP A 34 36.769 22.467 35.700 1.00 0.00 H new ATOM 0 HA TRP A 34 34.744 24.101 37.075 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.111 22.559 39.049 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.405 22.488 38.655 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.529 20.213 37.983 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.459 18.022 36.999 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.431 21.593 37.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 36.965 17.058 35.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 40.065 20.008 36.425 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.344 17.743 35.700 1.00 0.00 H new ATOM 543 N GLU A 35 37.942 24.151 36.863 1.00 0.00 N ATOM 544 CA GLU A 35 39.236 24.805 37.064 1.00 0.00 C ATOM 545 C GLU A 35 39.966 24.815 35.707 1.00 0.00 C ATOM 546 O GLU A 35 39.661 23.955 34.872 1.00 0.00 O ATOM 547 CB GLU A 35 40.091 24.026 38.086 1.00 0.00 C ATOM 548 CG GLU A 35 39.420 23.858 39.451 1.00 0.00 C ATOM 549 CD GLU A 35 40.413 23.374 40.499 1.00 0.00 C ATOM 550 OE1 GLU A 35 40.721 22.158 40.539 1.00 0.00 O ATOM 551 OE2 GLU A 35 40.856 24.222 41.310 1.00 0.00 O ATOM 0 H GLU A 35 37.993 23.450 36.124 1.00 0.00 H new ATOM 0 HA GLU A 35 39.082 25.815 37.444 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.318 23.041 37.679 1.00 0.00 H new ATOM 0 HB3 GLU A 35 41.041 24.543 38.220 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.989 24.808 39.766 1.00 0.00 H new ATOM 0 HG3 GLU A 35 38.598 23.147 39.370 1.00 0.00 H new ATOM 558 N PRO A 36 40.916 25.739 35.466 1.00 0.00 N ATOM 559 CA PRO A 36 41.666 25.795 34.215 1.00 0.00 C ATOM 560 C PRO A 36 42.562 24.549 34.055 1.00 0.00 C ATOM 561 O PRO A 36 43.415 24.306 34.914 1.00 0.00 O ATOM 562 CB PRO A 36 42.475 27.097 34.259 1.00 0.00 C ATOM 563 CG PRO A 36 42.550 27.444 35.745 1.00 0.00 C ATOM 564 CD PRO A 36 41.272 26.855 36.330 1.00 0.00 C ATOM 0 HA PRO A 36 41.006 25.791 33.347 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.468 26.963 33.831 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.987 27.888 33.690 1.00 0.00 H new ATOM 0 HG2 PRO A 36 43.437 27.014 36.210 1.00 0.00 H new ATOM 0 HG3 PRO A 36 42.600 28.522 35.901 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.430 26.520 37.355 1.00 0.00 H new ATOM 0 HD3 PRO A 36 40.475 27.599 36.356 1.00 0.00 H new ATOM 572 N PRO A 37 42.401 23.758 32.974 1.00 0.00 N ATOM 573 CA PRO A 37 43.251 22.605 32.683 1.00 0.00 C ATOM 574 C PRO A 37 44.580 23.033 32.040 1.00 0.00 C ATOM 575 O PRO A 37 44.743 24.178 31.623 1.00 0.00 O ATOM 576 CB PRO A 37 42.406 21.712 31.768 1.00 0.00 C ATOM 577 CG PRO A 37 41.484 22.680 31.037 1.00 0.00 C ATOM 578 CD PRO A 37 41.324 23.855 31.996 1.00 0.00 C ATOM 0 HA PRO A 37 43.547 22.070 33.585 1.00 0.00 H new ATOM 0 HB2 PRO A 37 43.031 21.155 31.070 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.838 20.980 32.342 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.915 22.998 30.088 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.523 22.218 30.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.376 24.802 31.458 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.352 23.821 32.488 1.00 0.00 H new ATOM 586 N ALA A 38 45.548 22.118 31.948 1.00 0.00 N ATOM 587 CA ALA A 38 46.891 22.397 31.425 1.00 0.00 C ATOM 588 C ALA A 38 46.909 22.749 29.925 1.00 0.00 C ATOM 589 O ALA A 38 47.772 23.507 29.477 1.00 0.00 O ATOM 590 CB ALA A 38 47.788 21.187 31.720 1.00 0.00 C ATOM 0 H ALA A 38 45.421 21.148 32.238 1.00 0.00 H new ATOM 0 HA ALA A 38 47.269 23.286 31.929 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.791 21.376 31.338 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.834 21.022 32.796 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.376 20.302 31.235 1.00 0.00 H new ATOM 596 N ASP A 39 45.944 22.239 29.155 1.00 0.00 N ATOM 597 CA ASP A 39 45.784 22.449 27.707 1.00 0.00 C ATOM 598 C ASP A 39 45.321 23.876 27.329 1.00 0.00 C ATOM 599 O ASP A 39 45.584 24.340 26.218 1.00 0.00 O ATOM 600 CB ASP A 39 44.761 21.404 27.221 1.00 0.00 C ATOM 601 CG ASP A 39 44.709 21.238 25.700 1.00 0.00 C ATOM 602 OD1 ASP A 39 45.728 20.793 25.117 1.00 0.00 O ATOM 603 OD2 ASP A 39 43.633 21.506 25.113 1.00 0.00 O ATOM 0 H ASP A 39 45.215 21.638 29.540 1.00 0.00 H new ATOM 0 HA ASP A 39 46.755 22.334 27.225 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.999 20.441 27.673 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.771 21.687 27.579 1.00 0.00 H new ATOM 608 N THR A 40 44.645 24.558 28.265 1.00 0.00 N ATOM 609 CA THR A 40 43.824 25.768 28.064 1.00 0.00 C ATOM 610 C THR A 40 44.636 27.020 27.712 1.00 0.00 C ATOM 611 O THR A 40 45.846 27.060 27.925 1.00 0.00 O ATOM 612 CB THR A 40 42.964 25.929 29.319 1.00 0.00 C ATOM 613 OG1 THR A 40 41.728 26.487 29.008 1.00 0.00 O ATOM 614 CG2 THR A 40 43.592 26.782 30.418 1.00 0.00 C ATOM 0 H THR A 40 44.655 24.265 29.242 1.00 0.00 H new ATOM 0 HA THR A 40 43.191 25.645 27.185 1.00 0.00 H new ATOM 0 HB THR A 40 42.863 24.914 29.704 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.773 26.909 28.125 1.00 0.00 H new ATOM 0 HG21 THR A 40 42.911 26.840 31.267 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.532 26.331 30.736 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.782 27.785 30.036 1.00 0.00 H new ATOM 622 N ASP A 41 43.975 28.066 27.206 1.00 0.00 N ATOM 623 CA ASP A 41 44.590 29.188 26.483 1.00 0.00 C ATOM 624 C ASP A 41 44.587 30.464 27.332 1.00 0.00 C ATOM 625 O ASP A 41 44.104 31.522 26.933 1.00 0.00 O ATOM 626 CB ASP A 41 43.886 29.375 25.129 1.00 0.00 C ATOM 627 CG ASP A 41 44.338 28.356 24.081 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.568 28.259 23.841 1.00 0.00 O ATOM 629 OD2 ASP A 41 43.476 27.685 23.467 1.00 0.00 O ATOM 0 H ASP A 41 42.963 28.160 27.290 1.00 0.00 H new ATOM 0 HA ASP A 41 45.638 28.961 26.286 1.00 0.00 H new ATOM 0 HB2 ASP A 41 42.808 29.291 25.270 1.00 0.00 H new ATOM 0 HB3 ASP A 41 44.081 30.381 24.759 1.00 0.00 H new ATOM 634 N MET A 42 45.130 30.323 28.538 1.00 0.00 N ATOM 635 CA MET A 42 45.529 31.358 29.499 1.00 0.00 C ATOM 636 C MET A 42 45.911 32.718 28.876 1.00 0.00 C ATOM 637 O MET A 42 45.433 33.725 29.381 1.00 0.00 O ATOM 638 CB MET A 42 46.633 30.769 30.385 1.00 0.00 C ATOM 639 CG MET A 42 46.046 29.617 31.220 1.00 0.00 C ATOM 640 SD MET A 42 47.206 28.837 32.374 1.00 0.00 S ATOM 641 CE MET A 42 48.201 27.917 31.172 1.00 0.00 C ATOM 0 H MET A 42 45.322 29.392 28.907 1.00 0.00 H new ATOM 0 HA MET A 42 44.658 31.619 30.100 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.456 30.406 29.769 1.00 0.00 H new ATOM 0 HB3 MET A 42 47.041 31.539 31.040 1.00 0.00 H new ATOM 0 HG2 MET A 42 45.194 29.996 31.785 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.664 28.854 30.541 1.00 0.00 H new ATOM 0 HE1 MET A 42 48.201 26.859 31.434 1.00 0.00 H new ATOM 0 HE2 MET A 42 47.778 28.044 30.176 1.00 0.00 H new ATOM 0 HE3 MET A 42 49.224 28.293 31.182 1.00 0.00 H new ATOM 651 N GLU A 43 46.625 32.795 27.751 1.00 0.00 N ATOM 652 CA GLU A 43 46.903 34.050 27.025 1.00 0.00 C ATOM 653 C GLU A 43 45.638 34.897 26.748 1.00 0.00 C ATOM 654 O GLU A 43 45.622 36.107 27.008 1.00 0.00 O ATOM 655 CB GLU A 43 47.594 33.699 25.697 1.00 0.00 C ATOM 656 CG GLU A 43 47.965 34.933 24.857 1.00 0.00 C ATOM 657 CD GLU A 43 48.517 34.532 23.493 1.00 0.00 C ATOM 658 OE1 GLU A 43 47.791 33.858 22.722 1.00 0.00 O ATOM 659 OE2 GLU A 43 49.696 34.844 23.197 1.00 0.00 O ATOM 0 H GLU A 43 47.037 31.975 27.305 1.00 0.00 H new ATOM 0 HA GLU A 43 47.544 34.662 27.660 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.497 33.126 25.906 1.00 0.00 H new ATOM 0 HB3 GLU A 43 46.936 33.055 25.113 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.085 35.563 24.724 1.00 0.00 H new ATOM 0 HG3 GLU A 43 48.706 35.529 25.390 1.00 0.00 H new ATOM 666 N THR A 44 44.583 34.244 26.241 1.00 0.00 N ATOM 667 CA THR A 44 43.235 34.775 25.957 1.00 0.00 C ATOM 668 C THR A 44 42.387 34.894 27.217 1.00 0.00 C ATOM 669 O THR A 44 41.387 35.610 27.246 1.00 0.00 O ATOM 670 CB THR A 44 42.539 33.813 24.972 1.00 0.00 C ATOM 671 OG1 THR A 44 43.398 33.554 23.882 1.00 0.00 O ATOM 672 CG2 THR A 44 41.212 34.351 24.426 1.00 0.00 C ATOM 0 H THR A 44 44.651 33.255 25.999 1.00 0.00 H new ATOM 0 HA THR A 44 43.340 35.775 25.536 1.00 0.00 H new ATOM 0 HB THR A 44 42.317 32.906 25.534 1.00 0.00 H new ATOM 0 HG1 THR A 44 42.957 32.942 23.257 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.779 33.623 23.740 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.523 34.526 25.252 1.00 0.00 H new ATOM 0 HG23 THR A 44 41.389 35.287 23.897 1.00 0.00 H new ATOM 680 N LEU A 45 42.757 34.146 28.252 1.00 0.00 N ATOM 681 CA LEU A 45 41.835 33.630 29.254 1.00 0.00 C ATOM 682 C LEU A 45 42.155 34.189 30.646 1.00 0.00 C ATOM 683 O LEU A 45 41.241 34.321 31.442 1.00 0.00 O ATOM 684 CB LEU A 45 41.921 32.103 29.110 1.00 0.00 C ATOM 685 CG LEU A 45 41.070 31.190 29.997 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.577 31.195 29.709 1.00 0.00 C ATOM 687 CD2 LEU A 45 41.634 29.769 30.019 1.00 0.00 C ATOM 0 H LEU A 45 43.727 33.877 28.420 1.00 0.00 H new ATOM 0 HA LEU A 45 40.802 33.947 29.109 1.00 0.00 H new ATOM 0 HB2 LEU A 45 41.678 31.863 28.075 1.00 0.00 H new ATOM 0 HB3 LEU A 45 42.963 31.823 29.266 1.00 0.00 H new ATOM 0 HG LEU A 45 41.146 31.626 30.993 1.00 0.00 H new ATOM 0 HD11 LEU A 45 39.072 30.514 30.395 1.00 0.00 H new ATOM 0 HD12 LEU A 45 39.184 32.203 29.843 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.403 30.871 28.683 1.00 0.00 H new ATOM 0 HD21 LEU A 45 41.012 29.140 30.656 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.642 29.365 29.007 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.651 29.787 30.410 1.00 0.00 H new ATOM 699 N LYS A 46 43.370 34.673 30.922 1.00 0.00 N ATOM 700 CA LYS A 46 43.637 35.626 32.013 1.00 0.00 C ATOM 701 C LYS A 46 42.781 36.897 31.858 1.00 0.00 C ATOM 702 O LYS A 46 42.272 37.410 32.852 1.00 0.00 O ATOM 703 CB LYS A 46 45.136 35.999 32.042 1.00 0.00 C ATOM 704 CG LYS A 46 45.982 35.280 33.107 1.00 0.00 C ATOM 705 CD LYS A 46 46.279 33.794 32.846 1.00 0.00 C ATOM 706 CE LYS A 46 45.189 32.814 33.313 1.00 0.00 C ATOM 707 NZ LYS A 46 45.072 32.755 34.792 1.00 0.00 N ATOM 0 H LYS A 46 44.204 34.415 30.394 1.00 0.00 H new ATOM 0 HA LYS A 46 43.370 35.146 32.954 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.563 35.788 31.062 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.221 37.074 32.202 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.931 35.807 33.205 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.470 35.364 34.066 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.436 33.654 31.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.214 33.535 33.342 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.231 33.112 32.888 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.412 31.818 32.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.437 31.976 35.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 46.011 32.594 35.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.686 33.653 35.146 1.00 0.00 H new ATOM 721 N MET A 47 42.533 37.348 30.617 1.00 0.00 N ATOM 722 CA MET A 47 41.607 38.459 30.334 1.00 0.00 C ATOM 723 C MET A 47 40.170 38.169 30.798 1.00 0.00 C ATOM 724 O MET A 47 39.418 39.102 31.070 1.00 0.00 O ATOM 725 CB MET A 47 41.594 38.788 28.829 1.00 0.00 C ATOM 726 CG MET A 47 42.975 39.005 28.196 1.00 0.00 C ATOM 727 SD MET A 47 44.045 40.188 29.059 1.00 0.00 S ATOM 728 CE MET A 47 45.161 40.550 27.681 1.00 0.00 C ATOM 0 H MET A 47 42.968 36.954 29.783 1.00 0.00 H new ATOM 0 HA MET A 47 41.976 39.314 30.901 1.00 0.00 H new ATOM 0 HB2 MET A 47 41.093 37.977 28.300 1.00 0.00 H new ATOM 0 HB3 MET A 47 40.996 39.686 28.675 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.489 38.045 28.146 1.00 0.00 H new ATOM 0 HG3 MET A 47 42.837 39.346 27.170 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.913 41.272 28.001 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.653 39.632 27.360 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.590 40.965 26.850 1.00 0.00 H new ATOM 738 N TYR A 48 39.808 36.881 30.895 1.00 0.00 N ATOM 739 CA TYR A 48 38.486 36.389 31.286 1.00 0.00 C ATOM 740 C TYR A 48 38.409 36.005 32.777 1.00 0.00 C ATOM 741 O TYR A 48 37.449 36.346 33.468 1.00 0.00 O ATOM 742 CB TYR A 48 38.185 35.168 30.396 1.00 0.00 C ATOM 743 CG TYR A 48 37.041 34.325 30.906 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.732 34.828 30.895 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.303 33.053 31.444 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.674 34.053 31.403 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.250 32.263 31.939 1.00 0.00 C ATOM 748 CZ TYR A 48 34.929 32.770 31.933 1.00 0.00 C ATOM 749 OH TYR A 48 33.896 32.038 32.427 1.00 0.00 O ATOM 0 H TYR A 48 40.460 36.123 30.693 1.00 0.00 H new ATOM 0 HA TYR A 48 37.749 37.180 31.149 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.953 35.510 29.387 1.00 0.00 H new ATOM 0 HB3 TYR A 48 39.080 34.549 30.325 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.536 35.812 30.496 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.316 32.681 31.477 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.666 34.440 31.388 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.449 31.273 32.322 1.00 0.00 H new ATOM 0 HH TYR A 48 33.073 32.269 31.948 1.00 0.00 H new ATOM 759 N MET A 49 39.419 35.279 33.265 1.00 0.00 N ATOM 760 CA MET A 49 39.528 34.751 34.628 1.00 0.00 C ATOM 761 C MET A 49 39.916 35.833 35.656 1.00 0.00 C ATOM 762 O MET A 49 39.674 35.653 36.852 1.00 0.00 O ATOM 763 CB MET A 49 40.498 33.550 34.620 1.00 0.00 C ATOM 764 CG MET A 49 39.914 32.353 33.854 1.00 0.00 C ATOM 765 SD MET A 49 40.796 30.793 34.107 1.00 0.00 S ATOM 766 CE MET A 49 39.505 29.677 33.493 1.00 0.00 C ATOM 0 H MET A 49 40.224 35.031 32.690 1.00 0.00 H new ATOM 0 HA MET A 49 38.547 34.405 34.955 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.442 33.848 34.164 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.718 33.253 35.645 1.00 0.00 H new ATOM 0 HG2 MET A 49 38.874 32.220 34.153 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.913 32.586 32.789 1.00 0.00 H new ATOM 0 HE1 MET A 49 39.968 28.822 33.000 1.00 0.00 H new ATOM 0 HE2 MET A 49 38.897 29.329 34.328 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.873 30.208 32.781 1.00 0.00 H new ATOM 776 N ALA A 50 40.441 36.978 35.210 1.00 0.00 N ATOM 777 CA ALA A 50 40.424 38.252 35.937 1.00 0.00 C ATOM 778 C ALA A 50 39.368 39.203 35.332 1.00 0.00 C ATOM 779 O ALA A 50 38.897 38.981 34.214 1.00 0.00 O ATOM 780 CB ALA A 50 41.836 38.852 35.890 1.00 0.00 C ATOM 0 H ALA A 50 40.905 37.047 34.304 1.00 0.00 H new ATOM 0 HA ALA A 50 40.143 38.095 36.978 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.846 39.801 36.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.540 38.164 36.358 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.127 39.018 34.853 1.00 0.00 H new ATOM 786 N THR A 51 39.006 40.274 36.050 1.00 0.00 N ATOM 787 CA THR A 51 38.037 41.304 35.612 1.00 0.00 C ATOM 788 C THR A 51 38.629 42.719 35.575 1.00 0.00 C ATOM 789 O THR A 51 37.988 43.666 35.115 1.00 0.00 O ATOM 790 CB THR A 51 36.755 41.163 36.443 1.00 0.00 C ATOM 791 OG1 THR A 51 35.665 41.593 35.667 1.00 0.00 O ATOM 792 CG2 THR A 51 36.774 41.911 37.776 1.00 0.00 C ATOM 0 H THR A 51 39.386 40.459 36.978 1.00 0.00 H new ATOM 0 HA THR A 51 37.774 41.131 34.568 1.00 0.00 H new ATOM 0 HB THR A 51 36.669 40.109 36.707 1.00 0.00 H new ATOM 0 HG1 THR A 51 34.839 41.506 36.187 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.828 41.755 38.295 1.00 0.00 H new ATOM 0 HG22 THR A 51 37.592 41.536 38.392 1.00 0.00 H new ATOM 0 HG23 THR A 51 36.916 42.976 37.593 1.00 0.00 H new ATOM 800 N TYR A 52 39.890 42.855 35.985 1.00 0.00 N ATOM 801 CA TYR A 52 40.771 43.961 35.605 1.00 0.00 C ATOM 802 C TYR A 52 40.943 44.073 34.069 1.00 0.00 C ATOM 803 O TYR A 52 40.903 43.053 33.363 1.00 0.00 O ATOM 804 CB TYR A 52 42.120 43.751 36.309 1.00 0.00 C ATOM 805 CG TYR A 52 43.078 44.915 36.166 1.00 0.00 C ATOM 806 CD1 TYR A 52 42.957 46.025 37.023 1.00 0.00 C ATOM 807 CD2 TYR A 52 44.069 44.904 35.167 1.00 0.00 C ATOM 808 CE1 TYR A 52 43.815 47.130 36.879 1.00 0.00 C ATOM 809 CE2 TYR A 52 44.935 46.004 35.023 1.00 0.00 C ATOM 810 CZ TYR A 52 44.808 47.121 35.876 1.00 0.00 C ATOM 811 OH TYR A 52 45.648 48.184 35.748 1.00 0.00 O ATOM 0 H TYR A 52 40.339 42.182 36.606 1.00 0.00 H new ATOM 0 HA TYR A 52 40.325 44.905 35.920 1.00 0.00 H new ATOM 0 HB2 TYR A 52 41.941 43.570 37.369 1.00 0.00 H new ATOM 0 HB3 TYR A 52 42.592 42.854 35.908 1.00 0.00 H new ATOM 0 HD1 TYR A 52 42.202 46.028 37.795 1.00 0.00 H new ATOM 0 HD2 TYR A 52 44.165 44.052 34.511 1.00 0.00 H new ATOM 0 HE1 TYR A 52 43.714 47.983 37.534 1.00 0.00 H new ATOM 0 HE2 TYR A 52 45.698 45.993 34.259 1.00 0.00 H new ATOM 0 HH TYR A 52 46.273 48.020 35.012 1.00 0.00 H new ATOM 821 N HIS A 53 41.160 45.293 33.553 1.00 0.00 N ATOM 822 CA HIS A 53 41.267 45.601 32.111 1.00 0.00 C ATOM 823 C HIS A 53 42.141 46.821 31.810 1.00 0.00 C ATOM 824 O HIS A 53 42.988 46.730 30.892 1.00 0.00 O ATOM 825 CB HIS A 53 39.849 45.768 31.537 1.00 0.00 C ATOM 826 CG HIS A 53 39.829 46.095 30.066 1.00 0.00 C ATOM 827 ND1 HIS A 53 39.949 45.166 29.026 1.00 0.00 N ATOM 828 CD2 HIS A 53 39.756 47.346 29.534 1.00 0.00 C ATOM 829 CE1 HIS A 53 39.946 45.893 27.893 1.00 0.00 C ATOM 830 NE2 HIS A 53 39.839 47.203 28.171 1.00 0.00 N ATOM 831 OXT HIS A 53 41.998 47.868 32.486 1.00 0.00 O ATOM 0 H HIS A 53 41.270 46.119 34.141 1.00 0.00 H new ATOM 0 HA HIS A 53 41.773 44.767 31.625 1.00 0.00 H new ATOM 0 HB2 HIS A 53 39.288 44.849 31.704 1.00 0.00 H new ATOM 0 HB3 HIS A 53 39.335 46.559 32.084 1.00 0.00 H new ATOM 0 HD2 HIS A 53 39.653 48.273 30.079 1.00 0.00 H new ATOM 0 HE1 HIS A 53 40.019 45.480 26.898 1.00 0.00 H new ATOM 0 HE2 HIS A 53 39.822 47.960 27.488 1.00 0.00 H new TER 839 HIS A 53